SCHEMBL643958

SCHEMBL643958

NC(=O)OC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HTR2A P28223 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2B P41595 6/20 0.38
HTR7 P34969 5/20 0.38
KMT2A Q03164 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7596802 0.81 POLB (0.52) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL20917779 0.81 POLB (0.52) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL4402923 0.79 POLB (0.71) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL931810 0.79 POLB (0.50) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7532314 0.79 POLB (0.50) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL30341829 0.79 POLB (0.71) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL9715046 0.79 POLB (0.46) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL28751074 0.78 POLB (0.69) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL21778844 0.78 F2 (0.50) POLBKMT2ATSHR
SCHEMBL434649 0.76 POLB (0.52) POLBHDAC3HDAC4HDAC7HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258951-B1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-08-22 EP claimed
WO-2002024693-A1 A PROCESS FOR PRODUCING 3,4-DIHYDRO NAPHTHYRIDINONE ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO claimed
CN-118265709-A Tetrahydroisoquinoline compounds as KEAP1 binders 希四克斯探索有限公司 2024-06-28 CN disclosed
CN-117836013-A Radiotracer and therapeutic agents that bind to Fibroblast Activation Protein (FAP) 蓝地诊断有限公司 2024-04-05 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
CN-115916342-A Compounds, compositions and methods for treating fibrotic diseases and cancer 普渡研究基金会 2023-04-04 CN disclosed
CN-115427044-A Pyrrolopyrimidines as complement inhibitors 拜奥克里斯特制药公司 2022-12-02 CN disclosed
CN-114929675-A Novel adamantane derivatives as inhibitors of focal adhesion kinase 三进制药株式会社 2022-08-19 CN disclosed
CN-110167915-B Amino-thiol compound, preparation method thereof and application thereof in radiation protection 上海科州药物研发有限公司 2021-11-26 CN disclosed
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
CN-101679829-A Photocurable adhesive composition SEKISUI CHEMICAL CO LTD 2010-03-24 CN disclosed
US-20090202942-A1 PROCESS FOR PRODUCING PATTERNED FILM AND PHOTOSENSITIVE RESIN COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2009-08-13 US disclosed
US-7396936-B1 Modulators of calcitonin and amylin receptor activity KEMIA, INC. (US) 2008-07-08 US disclosed
US-7041674-B2 Carbamic acid esters with anticholinergic activity BOEHRINGER INGELHIEM PHARMA GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20040132760-A1 Carbamic acid esters with anticholinergic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN disclosed
WO-2002024693-A1 A PROCESS FOR PRODUCING 3,4-DIHYDRO NAPHTHYRIDINONE ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed
CN-1164237-A New peptides with immunomodulatory effects ASTRA AB (SE) 1997-11-05 CN disclosed
EP-0608198-A1 Cyclic diphenylacetonenitriles as stabilisers CIBA-GEIGY AG (CH) 1994-07-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO POLB 515/4885HDAC3 4144/4885HDAC4 2839/4885
US-20040132760-A1 Carbamic acid esters with anticholinergic activity CHRM2, CHRM1, ACHE POLB 4105/4885HDAC3 521/4885HDAC4 337/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.